| CAS Number | 119960-04-2 |
| Catalog Number | AG01BV1A(AGN-PC-0PE0NV) |
| Chemical Name | methyl 4-{[(tert-butoxy)carbonyl]amino}-3-oxobutanoate |
| IUPAC Name | methyl 4-[(2-methylpropan-2-yl)oxycarbonylamino]-3-oxobutanoate |
| InChI | InChI=1S/C10H17NO5/c1-10(2,3)16-9(14)11-6-7(12)5-8(13)15-4/h5-6H2,1-4H3,(H,11,14) |
| InChI Key | WOBLFZAAUVEUJC-UHFFFAOYSA-N |
| MDL Number | MFCD18381799 |
| Molecular Formula | C10H17NO5 |
| Molecular Weight | 231.2457 |
| SMILES | C(C)(C)(C)OC(=O)NCC(CC(=O)OC)=O |
| Synonyms | 119960-04-2,
4-(Boc-amino)-3-oxobutanoic acid Methyl ester,
methyl 4-{[(tert-butoxy)carbonyl]amino}-3-oxobutanoate,
SCHEMBL15947696,
ZINC85345092,
AKOS004910718,
BB 0262580,
4-(tert-Butoxycarbonylamino)-3-oxobutanoic acid methyl ester,
|
| Complexity | 279 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 231.111g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 231.248g/mol |
| Monoisotopic Mass | 231.111g/mol |
| Rotatable Bond Count | 7 |
| Topological Polar Surface Area | 81.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number